1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol

C5H11FO2S — CID 89243111

IUPAC1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol
SMILESCC[S@](=O)CC(O)CF
InChIInChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3/t5?,9-/m0/s1
InChIKeyAWTNRZJQJWYQEI-YQFNKJDISA-N
MW154.21 g/mol
LogP0.09
Rot. Bonds4

About 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol

1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol (PubChem CID 89243111) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol
PubChem CID89243111
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol
SMILESCC[S@](=O)CC(O)CF
InChIInChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3/t5?,9-/m0/s1
InChIKeyAWTNRZJQJWYQEI-YQFNKJDISA-N
XLogP0.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol?
The IUPAC name of 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol (CID 89243111) is 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol is CC[S@](=O)CC(O)CF.
What is the InChIKey of 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol?
The InChIKey is AWTNRZJQJWYQEI-YQFNKJDISA-N. The full InChI is InChI=1S/C5H11FO2S/c1-2-9(8)4-5(7)3-6/h5,7H,2-4H2,1H3/t5?,9-/m0/s1.
What are the key properties of 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol?
1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-ethylsulfinyl]-3-fluoropropan-2-ol is sourced from PubChem (CID 89243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).